53563-10-3
3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
Name
3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
Formula
C11 H9 N3 O
MolWeight
199.212
1Identification
【Name】
3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
【CAS】
【MDL】
MFCD00020748
【English Synonyms】
【Formula】
C11 H9 N3 O
【MolWeight】
199.212
【Inchi】
InChI=1S/C11H9N3O/c1-8-5-11(15)14(13-8)10-4-2-3-9(6-10)7-12/h2-4,6H,5H2,1H3
【InChIKey】
InChIKey=CVLCVKPNBWPZGU-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)c2cccc(c2)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE.cml
Quick Release
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Catalog No:AC16019 5G
Catalog No:AC16019 1G
Country/Region:United States
Business Type:Others
http://www.aromacircle.com
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